6-amino-1H-3,1-benzoxazine-2,4-dione

C8H6N2O3 — CID 2735353

IUPAC6-amino-1H-3,1-benzoxazine-2,4-dione
SMILESNc1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)
InChIKeyQEQDLBKVHJXPJA-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.06
Rot. Bonds

About 6-amino-1H-3,1-benzoxazine-2,4-dione

6-amino-1H-3,1-benzoxazine-2,4-dione (PubChem CID 2735353) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-amino-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-amino-1H-3,1-benzoxazine-2,4-dione
PubChem CID2735353
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name6-amino-1H-3,1-benzoxazine-2,4-dione
SMILESNc1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)
InChIKeyQEQDLBKVHJXPJA-UHFFFAOYSA-N
XLogP0.06
TPSA89.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-1H-3,1-benzoxazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-amino-1H-3,1-benzoxazine-2,4-dione (CID 2735353) is 6-amino-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-amino-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-amino-1H-3,1-benzoxazine-2,4-dione is Nc1ccc2[nH]c(=O)oc(=O)c2c1.
What is the InChIKey of 6-amino-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is QEQDLBKVHJXPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12).
What are the key properties of 6-amino-1H-3,1-benzoxazine-2,4-dione?
6-amino-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 2735353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).